2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid

C13H24N2O4 — CID 62480415

IUPAC2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
SMILESCCC1CCCCN1C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-10-6-4-5-8-15(10)13(18)14-11(12(16)17)7-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXXCWOIGDIPZJQU-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds6

About 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid

2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 62480415) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID62480415
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
SMILESCCC1CCCCN1C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-10-6-4-5-8-15(10)13(18)14-11(12(16)17)7-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXXCWOIGDIPZJQU-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 62472702
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid
CID 81084776
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methoxybutanoic acid
CID 65320187
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61209577
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826453
4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61207093
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid (CID 62480415) is 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid is CCC1CCCCN1C(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is XXCWOIGDIPZJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-10-6-4-5-8-15(10)13(18)14-11(12(16)17)7-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid?
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62480415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).